Difference between revisions of "Task 6 - EVfold"

From Bioinformatikpedia
(Blanked the page)
 
(2 intermediate revisions by the same user not shown)
Line 1: Line 1:
For the proteins used in this practical, structures have been determined. However, in real-life projects, you often do not have protein structures only sequences. During this practical, you already predicted secondary structure elements
 
 
correlated mutations
 
 
local method: mutual information
 
 
 
your protein
 
+ example P01112 (RASH_HUMAN)
 
http://pfam.sanger.ac.uk/family/Ras
 
 
 
calculating the evolutionary couplings
 
 
0. aligment (clustalw.... Pfam alignment good) Many sequences
 
 
1. a2m2lm.... => aligment
 
2. freecontact -> standard (installed on student computers)
 
 
Output -> all couplings + evolutionary coupling score (last column)
 
 
rank by score => look at distrubution, values, range
 
 
Meaning of score unclear
 
 
Take only scores for i+6, i.e. neighboring residues neglected, minimal 5 residues between coupled residues
 
 
Take ranking, check for each coupled pair the actual distance in the structure. TP: distance <= 5 AA (minimal distance of all pairs of all atoms of both residues)
 
 
 
EVcoupling
 
Check evolutionary hot spots, i.e. relevant residues, functionally important sites.
 
Take L couplings (L=length of protein sequence), sum scores for each residue. Analyze.
 
(Cell paper)
 
 
- compare to conservation, single site conservation
 
 
 
EVfold.org
 
 
create model
 
 
choose number of contacts:
 
optimum ~ 60-70% of L
 
40% of L
 
100% of L
 
 
=> RMSD will be calculated by server, if you give PDB ID
 
 
PLM
 

Latest revision as of 01:23, 11 June 2013